(3R)-3alpha,5-Dimethyl-5alpha-hydroxy-8-methylene-3aalpha,4,4aalpha,5,6,7,7aalpha,8,9,9abeta-decahydroazuleno[6,5-b]furan-2(3H)-one (Q104945078)

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chemical compound

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Language	Label	Description	Also known as
English	(3R)-3alpha,5-Dimethyl-5alpha-hydroxy-8-methylene-3aalpha,4,4aalpha,5,6,7,7aalpha,8,9,9abeta-decahydroazuleno[6,5-b]furan-2(3H)-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

5-hydroxy-3,5-dimethyl-8-methylidene-octahydro-3H-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3aR,5aS,8R,8aR,9aR)-8-hydroxy-1,8-dimethyl-5-methylidene-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

11Beta,13-Dihydroinuviscolide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

11Alpha,13-Dihydroinuviscolide

1 reference

based on heuristic

inferred from InChI

(1R,3aR,5aR,8R,8aR,9aR)-8-hydroxy-1,8-dimethyl-5-methylidene-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

0 references

canonical SMILES

O=C1OC2CC(=C)C3CCC(O)(C)C3CC2C1C

0 references

isomeric SMILES

C=C1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@H]2[C@H]1CC[C@@]2(C)O

0 references

found in taxon

Dittrichia graveolens

1 reference

stated in

Further sesquiterpene lactones from the genus Dittrichia

Identifiers

InChI

InChI=1S/C15H22O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h9-13,17H,1,4-7H2,2-3H3/t9-,10+,11-,12-,13+,15-/m1/s1

0 references

InChIKey

BRXZFRCNCDYYMS-PVZBEVCSSA-N

0 references

PubChem CID

11032300

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BRXZFRCNCDYYMS-PVZBEVCSSA-N

UniChem compound ID

32068281

1 reference

stated in

UniChem

 

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